5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole

C13H24N4 — CID 114688277

IUPAC5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
SMILESCCCn1nncc1C1(C(C)(C)C)CCCN1
InChIInChI=1S/C13H24N4/c1-5-9-17-11(10-15-16-17)13(12(2,3)4)7-6-8-14-13/h10,14H,5-9H2,1-4H3
InChIKeyYVSBPKZJVNNDGB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds3

About 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole

5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole (PubChem CID 114688277) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole.

Molecular Properties

Compound Name5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
PubChem CID114688277
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
SMILESCCCn1nncc1C1(C(C)(C)C)CCCN1
InChIInChI=1S/C13H24N4/c1-5-9-17-11(10-15-16-17)13(12(2,3)4)7-6-8-14-13/h10,14H,5-9H2,1-4H3
InChIKeyYVSBPKZJVNNDGB-UHFFFAOYSA-N
XLogP2.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole
CID 114688275
4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole
CID 66466975
1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 114684610
3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 103564590
3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol
CID 114685047
2-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 130555176
5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
CID 114690670
8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114685110
5-(2-tert-butylpyrrolidin-2-yl)pyrimidine
CID 66466514
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114656492
5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole
CID 66465162

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole?
The IUPAC name of 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole (CID 114688277) is 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole.
What is the SMILES notation for 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole?
The canonical SMILES for 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole is CCCn1nncc1C1(C(C)(C)C)CCCN1.
What is the InChIKey of 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole?
The InChIKey is YVSBPKZJVNNDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-9-17-11(10-15-16-17)13(12(2,3)4)7-6-8-14-13/h10,14H,5-9H2,1-4H3.
What are the key properties of 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole?
5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole has a molecular weight of 236.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole is sourced from PubChem (CID 114688277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).